N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide

C21H20N4O3 — CID 109317859

IUPACN-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nccc(C(=O)Nc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C21H20N4O3/c1-3-28-18-10-8-17(9-11-18)24-21-22-13-12-19(25-21)20(27)23-16-6-4-15(5-7-16)14(2)26/h4-13H,3H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyIZNRZSRPSRGCJP-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.07
Rot. Bonds7

About N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide

N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109317859) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109317859
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nccc(C(=O)Nc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C21H20N4O3/c1-3-28-18-10-8-17(9-11-18)24-21-22-13-12-19(25-21)20(27)23-16-6-4-15(5-7-16)14(2)26/h4-13H,3H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyIZNRZSRPSRGCJP-UHFFFAOYSA-N
XLogP4.07
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994
N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315686
N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317293
methyl 3-[[4-[(4-ethoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317891
2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109316253
N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109316255
2-(4-acetylanilino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109316275
N-(4-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315554
ethyl 4-[[4-[(4-chlorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317016
N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306415
2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314853
2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318223

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide (CID 109317859) is N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide is CCOc1ccc(Nc2nccc(C(=O)Nc3ccc(C(C)=O)cc3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is IZNRZSRPSRGCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-28-18-10-8-17(9-11-18)24-21-22-13-12-19(25-21)20(27)23-16-6-4-15(5-7-16)14(2)26/h4-13H,3H2,1-2H3,(H,23,27)(H,22,24,25).
What are the key properties of N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).